CID 3980642

3-(pyrrolidin-2-yl)quinoline

Structural Information

Molecular Formula
C13H14N2
SMILES
C1CC(NC1)C2=CC3=CC=CC=C3N=C2
InChI
InChI=1S/C13H14N2/c1-2-5-12-10(4-1)8-11(9-15-12)13-6-3-7-14-13/h1-2,4-5,8-9,13-14H,3,6-7H2
InChIKey
QETHIJNTMQASAU-UHFFFAOYSA-N
Compound name
3-pyrrolidin-2-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

198.11569 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 143.6
[M+Na]+ 221.10491 150.6
[M-H]- 197.10841 146.7
[M+NH4]+ 216.14951 161.9
[M+K]+ 237.07885 145.5
[M+H-H2O]+ 181.11295 135.3
[M+HCOO]- 243.11389 162.0
[M+CH3COO]- 257.12954 155.3
[M+Na-2H]- 219.09036 149.3
[M]+ 198.11514 138.6
[M]- 198.11624 138.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.